3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea

C17H26N2O2 — CID 47034831

IUPAC3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea
SMILESCOCc1ccccc1NC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-8-10-15(11-9-13)19(2)17(20)18-16-7-5-4-6-14(16)12-21-3/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)
InChIKeyFDWXHBMMWWXJPA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.88
Rot. Bonds4

About 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea

3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea (PubChem CID 47034831) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea
PubChem CID47034831
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea
SMILESCOCc1ccccc1NC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-13-8-10-15(11-9-13)19(2)17(20)18-16-7-5-4-6-14(16)12-21-3/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)
InChIKeyFDWXHBMMWWXJPA-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
3-[2-(ethoxymethyl)phenyl]-1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97320497
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
CID 86908418
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea?
The IUPAC name of 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea (CID 47034831) is 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea.
What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea?
The canonical SMILES for 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea is COCc1ccccc1NC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea?
The InChIKey is FDWXHBMMWWXJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-8-10-15(11-9-13)19(2)17(20)18-16-7-5-4-6-14(16)12-21-3/h4-7,13,15H,8-12H2,1-3H3,(H,18,20).
What are the key properties of 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea?
3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea has a molecular weight of 290.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea is sourced from PubChem (CID 47034831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).